include/partdec.h

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  38
  39 #ifndef _partdec_h
  40 #define _partdec_h
  41 #include "visibility.h"
  42 #include "vsite.h"
  43
  44 #ifdef __cplusplus
  45 extern "C" {
  46 #endif
  47
  48
  49 #define GMX_LEFT     0          /* channel to the left processor  */
  50 #define GMX_RIGHT    1          /* channel to the right processor */
  51
  52 /* These are the good old ring communication routines */
  53
  54 void gmx_tx(const t_commrec *cr, int dir, void *buf, int bufsize);
  55 /*
  56  * Asynchronously sends bufsize bytes from the buffer pointed to by buf
  57  * over the communication channel, identified by chan. The buffer becomes
  58  * available after a successful call of gmx_tx_wait(dir).
  59  */
  60
  61 void gmx_tx_wait(const t_commrec *cr, int dir);
  62 /*
  63  * Waits until the asynchronous send operation associated with chan has
  64  * succeeded. This makes the buffer of the send operation available to
  65  * the sending process.
  66  */
  67
  68 void gmx_rx(const t_commrec *cr, int dir, void *buf, int bufsize);
  69 /*
  70  * Asynchronously receives bufsize bytes in the buffer pointed to by buf
  71  * from communication channel identified by chan. The buffer becomes
  72  * available after a successful call of gmx_rx_wait(chan).
  73  */
  74
  75 void gmx_rx_wait(const t_commrec *cr, int dir);
  76 /*
  77  * Waits until the asynchronous receive operation, associated with chan,
  78  * has succeeded. This makes the buffer of the receive operation
  79  * available to the receiving process.
  80  */
  81
  82 void gmx_left_right(int nnodes, int nodeid,
  83                     int *left, int *right);
  84 /* Get left and right proc id. */
  85
  86 void gmx_tx_rx(const t_commrec *cr,
  87                int send_dir, void *send_buf, int send_bufsize,
  88                int recv_dir, void *recv_buf, int recv_bufsize);
  89 /* Communicate simultaneously left and right */
  90
  91 void gmx_tx_rx_real(const t_commrec *cr,
  92                     int send_dir, real *send_buf, int send_bufsize,
  93                     int recv_dir, real *recv_buf, int recv_bufsize);
  94 /* Communicate simultaneously left and right, reals only */
  95
  96 void gmx_wait(const t_commrec *cr, int dir_send, int dir_recv);
  97 /* Wait for communication to finish */
  98
  99 void pd_move_f(const t_commrec *cr, rvec f[], t_nrnb *nrnb);
 100 /* Sum the forces over the nodes */
 101
 102 int *pd_cgindex(const t_commrec *cr);
 103
 104 int *pd_index(const t_commrec *cr);
 105
 106 int pd_shift(const t_commrec *cr);
 107
 108 int pd_bshift(const t_commrec *cr);
 109
 110 GMX_LIBMD_EXPORT
 111 void pd_cg_range(const t_commrec *cr, int *cg0, int *cg1);
 112 /* Get the range for the home charge groups */
 113
 114 GMX_LIBMD_EXPORT
 115 void pd_at_range(const t_commrec *cr, int *at0, int *at1);
 116 /* Get the range for the home particles */
 117
 118 GMX_LIBMD_EXPORT
 119 gmx_localtop_t *split_system(FILE *log,
 120                              gmx_mtop_t *mtop, t_inputrec *inputrec,
 121                              t_commrec *cr);
 122 /* Split the system over N processors. */
 123
 124 gmx_bool setup_parallel_vsites(t_idef *idef, t_commrec *cr,
 125                                t_comm_vsites *vsitecomm);
 126
 127 GMX_LIBMD_EXPORT
 128 t_state *partdec_init_local_state(t_commrec *cr, t_state *state_global);
 129 /* Generate a local state struct from the global one */
 130
 131 void
 132 pd_get_constraint_range(gmx_partdec_p_t pd, int *start, int *natoms);
 133
 134
 135 int *
 136 pd_constraints_nlocalatoms(gmx_partdec_p_t pd);
 137
 138 /* Move x0 and also x1 if x1!=NULL */
 139 void
 140 pd_move_x_constraints(t_commrec *  cr,
 141                       rvec *       x0,
 142                       rvec *       x1);
 143
 144 #ifdef __cplusplus
 145 }
 146 #endif
 147
 148 #endif